(Q51858764)

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title

Locating multiple self-consistent field solutions: an approach inspired by metadynamics. (English)

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2

Martin Head-Gordon

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author name string

Alex J W Thom

series ordinal

1

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language of work or name

English

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publication date

5 November 2008

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published in

Physical Review Letters

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volume

101

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issue

19

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page(s)

193001

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Escaping free-energy minima

cites work

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https://api.crossref.org/works/10.1103%2FPHYSREVLETT.101.193001

Convergence acceleration of iterative sequences. the case of scf iteration

21 January 2018

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Advances in methods and algorithms in a modern quantum chemistry program package.

21 January 2018

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VMD: visual molecular dynamics

21 January 2018

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https://api.crossref.org/works/10.1103%2FPHYSREVLETT.101.193001

Second-order correction to perfect pairing: an inexpensive electronic structure method for the treatment of strong electron-electron correlations

21 January 2018

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https://api.crossref.org/works/10.1103%2FPHYSREVLETT.101.193001

Correction to constrained coupled cluster doubles models based on the second coupled cluster central moment

21 January 2018

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https://api.crossref.org/works/10.1103%2FPHYSREVLETT.101.193001

Partially linearized, fully size-extensive, and reduced multireference coupled-cluster methods. II. Applications and performance

21 January 2018

1 reference

https://api.crossref.org/works/10.1103%2FPHYSREVLETT.101.193001

Full potential energy curve for N2 by the reduced multireference coupled-cluster method

21 January 2018

1 reference

https://api.crossref.org/works/10.1103%2FPHYSREVLETT.101.193001

Gaussian basis sets for use in correlated molecular calculations. I. The atoms boron through neon and hydrogen

21 January 2018

1 reference

https://api.crossref.org/works/10.1103%2FPHYSREVLETT.101.193001

10.1103/PHYSREVLETT.101.193001

21 January 2018

Identifiers

DOI

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14 April 2018

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14 April 2018